Advances in Quantum Chemistry
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28

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Published By Elsevier

9780120348480

Latest Documents Most Cited Documents Contributed Authors Related Sources Related Keywords

The Rotational g Tensor of HF, H2O, NH3, and CH4: A Comparison of Correlated Ab Initio Methods

Advances in Quantum Chemistry ◽

10.1016/s0065-3276(05)48024-7 ◽

2005 ◽

pp. 469-490 ◽

Cited By ~ 4

Author(s):

Stephan P.A. Sauer

Keyword(s):

Ab Initio ◽

Ab Initio Methods

Subject Index

Advances in Quantum Chemistry ◽

10.1016/s0065-3276(05)48100-9 ◽

2005 ◽

pp. 491-499

Elliptic Functions of the Worst Kind: Non-linear Quantisation of the Classical Spherical Pendulum

Advances in Quantum Chemistry ◽

10.1016/s0065-3276(05)48008-9 ◽

2005 ◽

pp. 111-125 ◽

Cited By ~ 2

Author(s):

John W. Perram ◽

Edgar R. Smith

Keyword(s):

Elliptic Functions ◽

Spherical Pendulum ◽

Non Linear

Excitation Energies for Transition Metal Atoms – A Comparison between Coupled Cluster Methods and Second-Order Perturbation Theory

Advances in Quantum Chemistry ◽

10.1016/s0065-3276(05)48022-3 ◽

2005 ◽

pp. 421-433 ◽

Cited By ~ 9

Author(s):

Juraj Raab ◽

Björn O. Roos

Keyword(s):

Perturbation Theory ◽

Transition Metal ◽

Order Perturbation ◽

Order Perturbation Theory ◽

Coupled Cluster ◽

Excitation Energies ◽

Metal Atoms ◽

Transition Metal Atoms ◽

Cluster Methods ◽

Second Order Perturbation Theory

On the Usage of Locally Dense Basis Sets in the Calculation of NMR Indirect Nuclear Spin–Spin Coupling Constants: Vicinal Fluorine–Fluorine Couplings

Advances in Quantum Chemistry ◽

10.1016/s0065-3276(05)48012-0 ◽

2005 ◽

pp. 161-183 ◽

Cited By ~ 52

Author(s):

Marina Sanchez ◽

Patricio F. Provasi ◽

Gustavo A. Aucar ◽

Stephan P.A. Sauer

Keyword(s):

Nuclear Spin ◽

Coupling Constants ◽

Spin Coupling ◽

Basis Sets ◽

Spin Coupling Constants ◽

Spin Spin Coupling ◽

Dense Basis

Density of States and Transmission in Molecular Transport Junctions

Advances in Quantum Chemistry ◽

10.1016/s0065-3276(05)48003-x ◽

2005 ◽

pp. 23-34 ◽

Cited By ~ 1

Author(s):

Zsolt Bihary ◽

Mark A. Ratner

Keyword(s):

Density Of States ◽

Molecular Transport

Interplay of Classical and Quantum Mechanics in the Theory of Charged-Particle Stopping

Advances in Quantum Chemistry ◽

10.1016/s0065-3276(05)48007-7 ◽

2005 ◽

pp. 91-110 ◽

Cited By ~ 3

Author(s):

Peter Sigmund

Keyword(s):

Quantum Mechanics ◽

Charged Particle ◽

Classical And Quantum Mechanics

Rotation–Vibration Motion of Pyramidal XY3 Molecules Described in the Eckart Frame: The Calculation of Intensities with Application to NH3

Advances in Quantum Chemistry ◽

10.1016/s0065-3276(05)48014-4 ◽

2005 ◽

pp. 209-238 ◽

Cited By ~ 33

Author(s):

Sergei N. Yurchenko ◽

Walter Thiel ◽

Miguel Carvajal ◽

Hai Lin ◽

Per Jensen

Calculations of Dipole and Quadrupole Polarizability Radial Functions for LiH and HF: A Comparison of Different Linear Response Methods

Advances in Quantum Chemistry ◽

10.1016/s0065-3276(05)48013-2 ◽

2005 ◽

pp. 185-208 ◽

Cited By ~ 11

Author(s):

Ivana Paidarová ◽

Stephan P.A. Sauer

Keyword(s):

Linear Response ◽

Radial Functions

A Reinvestigation of Ramsey's Theory of NMR Coupling

Advances in Quantum Chemistry ◽

10.1016/s0065-3276(05)48023-5 ◽

2005 ◽

pp. 434-467 ◽

Cited By ~ 2

Author(s):

S. Ajith Perera ◽

Rodney J. Bartlett